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3,5-dimethoxy-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide
SpectraBase Compound ID H3TNNOWXkDx
InChI InChI=1S/C20H20N4O5S/c1-13-8-9-21-20(22-13)24-30(26,27)18-6-4-15(5-7-18)23-19(25)14-10-16(28-2)12-17(11-14)29-3/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKey BOYUYRPYXFHCDE-UHFFFAOYSA-N
Mol Weight 428.46 g/mol
Molecular Formula C20H20N4O5S
Exact Mass 428.115441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3P9LYioPmzP
Name 3,5-Dimethoxy-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 428.115440929 u
Formula C20H20N4O5S
InChI InChI=1S/C20H20N4O5S/c1-13-8-9-21-20(22-13)24-30(26,27)18-6-4-15(5-7-18)23-19(25)14-10-16(28-2)12-17(11-14)29-3/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKey BOYUYRPYXFHCDE-UHFFFAOYSA-N
Molecular Weight 428.463 g/mol
SMILES N(C(C1=CC(OC)=CC(=C1)OC)=O)C1=CC=C(S(NC=2N=C(C)C=CN2)(=O)=O)C=C1